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40925-69-7 molecular structure
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2-amino-3-methoxyphenol

ChemBase ID: 117057
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
c1(c(O)cccc1OC)N
Canonical SMILES:
COc1cccc(c1N)O
InChI:
InChI=1S/C7H9NO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,8H2,1H3
InChIKey:
DAHKWRIKVUJPMO-UHFFFAOYSA-N

Cite this record

CBID:117057 http://www.chembase.cn/molecule-117057.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-methoxyphenol
IUPAC Traditional name
2-amino-3-methoxyphenol
Synonyms
2-amino-3-methoxyphenol
CAS Number
40925-69-7
MDL Number
MFCD12963875
PubChem SID
162102111
PubChem CID
21492622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21492622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.330521  H Acceptors
H Donor LogD (pH = 5.5) 0.63701874 
LogD (pH = 7.4) 0.6818938  Log P 0.6830833 
Molar Refractivity 39.2025 cm3 Polarizability 14.598254 Å3
Polar Surface Area 55.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.878 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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